Light Particle Nonadiabatic Probability 1
type: Item
instance of: quantity
instance of: continuous-space quantity
instance of: continuous-time quantity
defining formula: P m n ( t , t + Δ t ) ≡ ρ m m ( t ) − ρ m m ( t + Δ t ) ρ m m ( t ) = max [ 0 , − 2 Δ t ℏ ρ m m ℜ ( ρ m n ) d m n ⋅ v ]
in defining formula: Δ t
in defining formula: ℏ
in defining formula: ρ
in defining formula: d
in defining formula: v
in defining formula: P
in defining formula: t
described by source: Molecular dynamics with electronic transitions
description: Numerical problems may occur due to the (near) divergence of the nonadiabatic coupling tensor elements, thus enforcing very small time steps.
community: MathModDB
MaRDI profile type: MaRDI quantity profile
description: FSSH-1 probability for a nonadiabatic transition of the light particle(s) subsystem, induced by the heavy particle(s) dynamics